[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

C19H23FN4OS — CID 70771223

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H23FN4OS/c20-15-3-1-2-14(12-15)18-17(13-21-22-18)19(25)24-8-6-23(7-9-24)16-4-10-26-11-5-16/h1-3,12-13,16H,4-11H2,(H,21,22)
InChIKeyNMFQQEBUBMFRQP-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.87
Rot. Bonds3

About [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 70771223) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID70771223
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H23FN4OS/c20-15-3-1-2-14(12-15)18-17(13-21-22-18)19(25)24-8-6-23(7-9-24)16-4-10-26-11-5-16/h1-3,12-13,16H,4-11H2,(H,21,22)
InChIKeyNMFQQEBUBMFRQP-UHFFFAOYSA-N
XLogP2.87
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56910859
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375417
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 70771223) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CCN(C2CCSCC2)CC1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is NMFQQEBUBMFRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c20-15-3-1-2-14(12-15)18-17(13-21-22-18)19(25)24-8-6-23(7-9-24)16-4-10-26-11-5-16/h1-3,12-13,16H,4-11H2,(H,21,22).
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70771223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).